1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone

C15H20N2O2S — CID 126498017

IUPAC1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(C2=CCCCC2)sc1N1CCOCC1
InChIInChI=1S/C15H20N2O2S/c1-11(18)13-15(17-7-9-19-10-8-17)20-14(16-13)12-5-3-2-4-6-12/h5H,2-4,6-10H2,1H3
InChIKeyNPEIKGBMKVXRKA-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.14
Rot. Bonds3

About 1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone

1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone (PubChem CID 126498017) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
PubChem CID126498017
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(C2=CCCCC2)sc1N1CCOCC1
InChIInChI=1S/C15H20N2O2S/c1-11(18)13-15(17-7-9-19-10-8-17)20-14(16-13)12-5-3-2-4-6-12/h5H,2-4,6-10H2,1H3
InChIKeyNPEIKGBMKVXRKA-UHFFFAOYSA-N
XLogP3.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497974
1-(2-Ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498007
1-(2-Cyclohexyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498018
1-[2-(1-Ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498019
1-(2-Acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498020
1-(2-Cyclobutyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 134460638
Ethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
CID 134461514
1-(2-Acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 138515468
1-(2-Ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 167159214

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone (CID 126498017) is 1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone is CC(=O)c1nc(C2=CCCCC2)sc1N1CCOCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
The InChIKey is NPEIKGBMKVXRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11(18)13-15(17-7-9-19-10-8-17)20-14(16-13)12-5-3-2-4-6-12/h5H,2-4,6-10H2,1H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone has a molecular weight of 292.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 126498017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).